Cadaverine Tartrate

SCHEMBL4425602

CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(CCOC)c2)c(=O)nc1SCc1ccc(F)cc1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.77

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 5)

	gene	UniProt	supporting neighbours	confidence
▸	PLA2G7	Q13093	20/20	0.77

▸	CYP3A4	P08684	11/20	0.77

▸	CYP2D6	P10635	7/20	0.77

▸	CYP1A2	P05177	1/20	0.77

▸	CYP2C9	P11712	1/20	0.77

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
SCHEMBL6308169	0.96	PLA2G7 (0.83)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL4415760	0.94	PLA2G7 (0.77)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL5867465	0.92	PLA2G7 (0.91)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL4418837	0.89	PLA2G7 (0.80)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL4414206	0.88	PLA2G7 (0.79)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL3535728	0.88	PLA2G7 (0.90)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL3106248	0.87	PLA2G7 (1.00)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5867350	0.87	PLA2G7 (0.99)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL3537347	0.87	PLA2G7 (0.90)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL5867445	0.86	PLA2G7 (0.81)	PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9

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-1479671-B1	Pyrimidinone compounds	SMITHKLINE BEECHAM PLC (GB)	2009-05-27	—	—	EP	disclosed
US-7115616-B2	Pyrimidinone compounds	SMITHKLINE BEECHAM PLC (GB)	2006-10-03	—	—	US	disclosed