Cadaverine Tartrate

SCHEMBL15517801

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1.CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

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 7)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC3	O15379	19/20	0.92

▸	HDAC1	Q13547	19/20	0.92

▸	HDAC2	Q92769	16/20	0.92

▸	HDAC8	Q9BY41	16/20	0.92

▸	HDAC6	Q9UBN7	14/20	0.92

▸	CYP2C9	P11712	2/20	0.92

▸	KCNH2	Q12809	1/20	0.92

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 SCHEMBL2073273	1.00	HDAC3 (0.92)	HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28772795	0.96	HDAC3 (1.00)	HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2073575	0.96	HDAC3 (1.00)	HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL2074725	0.95	HDAC3 (0.99)	HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL2072870	0.95	HDAC3 (0.99)	HDAC3HDAC1HDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2071962	0.93	HDAC3 (0.91)	HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24146167	0.90	HDAC1 (0.88)	HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15707481	0.89	HDAC3 (0.86)	HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24146168	0.89	HDAC3 (1.00)	HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31175457	0.89	HDAC3 (1.00)	HDAC3HDAC1HDAC2HDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1828171-B1	HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS	ANGELETTI P IST RICHERCHE BIO (IT)	2014-03-12	—	—	EP	claimed
EP-1828171-B1	HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS	ANGELETTI P IST RICHERCHE BIO (IT)	2014-03-12	—	—	EP	disclosed