Cadaverine Tartrate

SCHEMBL9842858

CNc1c(I)c(C(=O)CC(O)CO)c(I)c(C(=O)CC(O)CO)c1I.CNc1c(I)c(C(=O)CC(O)CO)c(I)c(C(=O)CC(O)CO)c1I.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CHRM1 CHRM2 CHRM3 CHRM4 ESR1 ESR2 GABRA1 GABRB1 GABRG2 GBA1 HRH1 HTR1D HTR2A OPRD1 OPRK1 OPRM1 SLC6A2 SLC6A3 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2 known ✓	P23975	1/20	0.31

▸	ADRB2 known ✓	P07550	1/20	0.31

▸	LMNA	P02545	3/20	0.35

▸	HIF1A	Q16665	2/20	0.35

▸	CYP2C19	P33261	1/20	0.35

▸	SMN1; SMN2	Q16637	2/20	0.34

▸	KDM4E	B2RXH2	2/20	0.31

▸	HSD17B10	Q99714	2/20	0.31

▸	TDP1	Q9NUW8	2/20	0.31

▸	CYP1A2	P05177	1/20	0.31

▸	GAA	P10253	1/20	0.31

▸	MAPT	P10636	1/20	0.31

▸	TSHR	P16473	1/20	0.31

▸	NFKB1	P19838	1/20	0.31

▸	THPO	P40225	1/20	0.31

▸	BLM	P54132	1/20	0.31

▸	RXFP1	Q9HBX9	1/20	0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
Cadaverine Tartrate SCHEMBL9843345	0.81	LMNA (0.56)	LMNAHIF1ACYP2C19SMN1; SMN2KDM4E
Cadaverine Tartrate SCHEMBL9843374	0.73	TSHR (0.32)	LMNAHIF1ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9843156	0.72	LMNA (0.56)	LMNAHIF1ACYP2C19SMN1; SMN2KDM4E
SCHEMBL9843237	0.70	LMNA (0.52)	LMNAHIF1ACYP2C19SMN1; SMN2
SCHEMBL9843377	0.69	LMNA (0.55)	LMNAHIF1ACYP2C19SMN1; SMN2
Malonic Acid SCHEMBL11497518	0.69	LMNA (0.53)	LMNAHIF1ACYP2C19SMN1; SMN2
SCHEMBL9009368	0.66	LMNA (0.43)	LMNASMN1; SMN2TSHR
SCHEMBL9842902	0.66	LMNA (0.44)	LMNAHIF1ACYP2C19SMN1; SMN2
SCHEMBL10714137	0.65	LIMK1 (0.41)	LMNA
Hydrochloric Acid SCHEMBL4589564	0.65	LMNA (0.42)	LMNASMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5004835-A	Substituted dicarboxylic acid-bis(3,5-dicarbamoyl-2,4,6-triiodoanilides), process for their production as well as X-ray contrast media containing them	SCHERING AKTIENGESELLSCHAFT (DE)	1991-04-02	—	—	US	disclosed