Caffeic Acid

Summary

Caffeic Acid (CHEMBL145) is an approved small-molecule geroprotector; indicated across 2 conditions including autoimmune thrombocytopenic purpura.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• Indications: 2 conditions
• Clinical trials: 3
• Chemistry: 180.16 Da · C9H8O4

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL145
Name	Caffeic Acid
Type	Small molecule
Max phase	3
FDA approved	yes
PubChem CID	689043
ChEBI	CHEBI:16433
Molecular formula	C9H8O4
Molecular weight	180.16
InChIKey	QAIPRVGONGVQAS-DUXPYHPUSA-N

SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)O)O

IUPAC name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

ChEBI definition: The trans-isomer of caffeic acid.

Pharmacological roles (ChEBI): geroprotector.

Other ChEBI roles (chemical / environmental): mouse metabolite.

Also known as: Caffeic acid, NSC-57197, NSC-623438, Trans-caffeic acid, Trans-caffeate, caffeic acid, Caffic acid, Caffeic Acid, SID26746990, SID26751505, SID50104061, SID50104062

Patent coverage: 16,003 distinct patent families (36,305 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 36,273 (100%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 54 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Microtubule-associated protein tau, Lysine-specific demethylase 4E, Nuclear receptor ROR-gamma, Fructose-bisphosphate aldolase, Prelamin-A/C, 4’-phosphopantetheinyl transferase ffp, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], Endonuclease 4, Peripheral myelin protein 22.

Bioactivity

ChEMBL activities: 39 potent at pChembl ≥ 5 of 83 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
MMP9	8	IC50	10	nM	CHEMBL_ACT_12701751
MMP9	7.67	IC50	21.22	nM	CHEMBL_ACT_12701748
MMP2	7.62	IC50	24.26	nM	CHEMBL_ACT_12701749
P22734	7.03	IC50	92.82	nM	CHEMBL_ACT_19443170
AGTR1	6.9	IC50	124.6	nM	CHEMBL_ACT_24352568
NFKB1	6.85	Potency	141.3	nM	CHEMBL_ACT_3672626
NFKB1	6.85	Potency	141.3	nM	CHEMBL_ACT_4585362
MMP1	6.62	IC50	238.9	nM	CHEMBL_ACT_12701750
KDM4E	6.25	Potency	562.3	nM	CHEMBL_ACT_3724218
TDP1	6.1	Potency	794.3	nM	CHEMBL_ACT_3950025
MEN1	6	Potency	1000	nM	CHEMBL_ACT_4552729
CA2	5.79	Ki	1610	nM	CHEMBL_ACT_3116754
HSD17B10	5.7	Potency	1995	nM	CHEMBL_ACT_4853608
CA1	5.62	Ki	2380	nM	CHEMBL_ACT_3116755
LMNA	5.55	Potency	2818	nM	CHEMBL_ACT_3645236
KDM5B	5.54	IC50	2880	nM	CHEMBL_ACT_24994892
P08170	5.52	IC50	3000	nM	CHEMBL_ACT_1602442
PTPN1	5.51	IC50	3060	nM	CHEMBL_ACT_3214646
DPP4	5.47	IC50	3370	nM	CHEMBL_ACT_18662266
P22734	5.23	IC50	5861	nM	CHEMBL_ACT_19443186
TDP1	5.2	Potency	6310	nM	CHEMBL_ACT_3927651
CA7	5.19	Ki	6420	nM	CHEMBL_ACT_3116748
CA5A	5.19	Ki	6490	nM	CHEMBL_ACT_3116751
Q9F4F7	5.15	Potency	7080	nM	CHEMBL_ACT_4388079
A8B2U2	5.15	Potency	7063	nM	CHEMBL_ACT_4611284
CA6	5.13	Ki	7330	nM	CHEMBL_ACT_3116749
CA9	5.1	Ki	7870	nM	CHEMBL_ACT_3116747
GAA	5.1	Potency	7943	nM	CHEMBL_ACT_4886568
ALOX5	5.07	IC50	8500	nM	CHEMBL_ACT_15701170
CA14	5.06	Ki	8710	nM	CHEMBL_ACT_15753022

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

2 indications (0 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

Indication	Trial phase	MONDO	EFO
autoimmune thrombocytopenic purpura	3	MONDO:0008558	EFO:0007160

1 further indication record had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 3.

Phase distribution

Phase	Trials
PHASE3	2
PHASE4	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT02556814	PHASE4	COMPLETED	Caffeic Acid Combining High-dose Dexamethasone in Management of ITP
NCT02351622	PHASE3	COMPLETED	Caffeic Acid Tablets as a Second-line Therapy for ITP
NCT04648917	PHASE3	UNKNOWN	GASC1 Inhibitor Caffeic Acid for Squamous Esophageal Cell Cancer (ESCC)

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).